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Crystal structure of vilazodone hydro-chloride methanol monosolvate.

ABSTRACT: In the title compound, C₂₆H₂₈N₅O₂⁺·Cl^-·CH₃OH {systematic name: 4-(2-carbamoyl-1-benzo-furan-5-yl)-1-[4-(5-cyano-1H-indol-3-yl)but-yl]piperazin-1-ium chloride methanol monosolvate}, the protonated piperazine ring adopts a chair conformation. The indole ring plane is nearly perpendicular to the benzo-furan ring system, with a dihedral angle of 85.77?(2)°. In the crystal, the organic cations, Cl^- anions and methanol solvent mol-ecules are linked by classical N-H?O and N-H?Cl hydrogen bonds, and weak C-H?O and C-H?? inter-actions into a three-dimensional supra-molecular architecture.

SUBMITTER: Hu XR

PROVIDER: S-EPMC5137608 | biostudies-literature | 2016 Dec

REPOSITORIES: biostudies-literature

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Crystal structure of vilazodone hydro-chloride methanol monosolvate.

Hu Xiu-Rong XR Ye Jia-Li JL Gu Jian-Ming JM

Acta crystallographica. Section E, Crystallographic communications 20161110 Pt 12

In the title compound, C26H28N5O2+·Cl-·CH3OH {systematic name: 4-(2-carbamoyl-1-benzo-furan-5-yl)-1-[4-(5-cyano-1H-indol-3-yl)but-yl]piperazin-1-ium chloride methanol monosolvate}, the protonated piperazine ring adopts a chair conformation. The indole ring plane is nearly perpendicular to the benzo-furan ring system, with a dihedral angle of 85.77 (2)°. In the crystal, the organic cations, Cl- anions a ...[more]

PMID: 27980830

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